Geometry & MOs

Info

ID:	176555
PubChem CID:	76066030
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	208.023255
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	7.2
IP(EA), eV:	-9.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dioxopurine-8-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C(CC2=CN(C=N2)C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations